ChemSpider 2D Image | (1beta,3beta,8xi,9xi,14xi,16xi,17xi,22R,25S)-1-({2-O-[(5xi)-6-Deoxy-alpha-L-lyxo-hexopyranosyl]-alpha-D-glycero-pentopyranosyl}oxy)-3,22-dihydroxyfurost-5-en-26-yl (5xi)-beta-L-xylo-hexopyranoside | C44H72O18

(1β,3β,8ξ,9ξ,14ξ,16ξ,17ξ,22R,25S)-1-({2-O-[(5ξ)-6-Deoxy-α-L-lyxo-hexopyranosyl]-α-D-glycero-pentopyranosyl}oxy)-3,22-dihydroxyfurost-5-en-26-yl (5ξ)-β-L-xylo-hexopyranoside

  • Molecular FormulaC44H72O18
  • Average mass889.032 Da
  • Monoisotopic mass888.471863 Da
  • ChemSpider ID21341395

  • defined stereocentres - 13 of 26 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1β,3β,8ξ,9ξ,14ξ,16ξ,17ξ,22R,25S)-1-({2-O-[(5ξ)-6-Deoxy-α-L-lyxo-hexopyranosyl]-α-D-glycero-pentopyranosyl}oxy)-3,22-dihydroxyfurost-5-en-26-yl (5ξ)-β-L-xylo-hexopyranoside [ACD/IUPAC Name]
(1β,3β,8ξ,9ξ,14ξ,16ξ,17ξ,22R,25S)-1-({2-O-[(5ξ)-6-Desoxy-α-L-lyxo-hexopyranosyl]-α-D-glycero-pentopyranosyl}oxy)-3,22-dihydroxyfurost-5-en-26-yl-(5ξ)-β-L-xylo-hexopyranosid [German] [ACD/IUPAC Name]
(5ξ)-β-L-xylo-Hexopyranoside de (1β,3β,8ξ,9ξ,14ξ,16ξ,17ξ,22R,25S)-1-({2-O-[(5ξ)-6-désoxy-α-L-lyxo-hexopyranosyl]-α-D-glycéro-pentopyranosyl}oxy)-3,22-dihydroxyfurost-5-én-26-yl e [French] [ACD/IUPAC Name]
β-L-xylo-Hexopyranoside, (1β,3β,8ξ,9ξ,14ξ,16ξ,17ξ,22β,25S)-1-[[2-O-[(5ξ)-6-deoxy-α-L-lyxo-hexopyranosyl]-α-D-glycero-pentopyranosyl]oxy]-3,22-dihydroxyfurost-5-en-26-yl, (5ξ )- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 1008.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 166.7±6.0 kJ/mol
Flash Point: 563.7±34.3 °C
Index of Refraction: 1.630
Molar Refractivity: 217.7±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 48.33
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.58
ACD/KOC (pH 7.4): 48.33
Polar Surface Area: 287 Å2
Polarizability: 86.3±0.5 10-24cm3
Surface Tension: 76.8±5.0 dyne/cm
Molar Volume: 612.2±5.0 cm3

Click to predict properties on the Chemicalize site


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